Common name
formamide
IUPAC name
formamide
SMILES
C(=O)N
Common name
formamide
IUPAC name
formamide
SMILES
C(=O)N
INCHI
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
FORMULA
CH3NO
Common name
formamide
IUPAC name
formamide
Molecular weight
45.041
clogP
-0.474
clogS
0.761
Frequency
0.1240
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01041 | Flecainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Flecainide is is a class Ic antiarrhythmic agent and as such, it is used for the prevention of paroxysmal supraventricular tachycardias (PSVT), including atrioventricular nodal reentrant tachycardia, atrioventricular reentrant tachycardia and other supraventricular tachycardias of unspecified mechanism associated with disablin. |
| FDBD01046 | Bromocriptine |
|
Hormone Antagonists; Antiparkinson Agents; Dopamine Agonists; Antidyskinetics; Genito Urinary System and Sex Hormones; Nervous System; Anti-Parkinson Drugs; Prolactine Inhibitors; Dopaminergic Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; Alpha2 Agonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of galactorrhea due to hyperprolactinemia, prolactin-dependent menstrual disorders and infertility, prolactin-secreting adenomas, prolactin-dependent male hypogonadism, as adjunct therapy to surgery or radiotherapy for acromegaly or as monotherapy is special cases, as monotherapy in early Parksinsonian Syndrome or as an adjunct with levodopa in advanced cases with motor complications. Bromocriptine has also been used off-label to treat restless legs syndrome and neuroleptic malignant syndrome. |
| FDBD01048 | Levetiracetam |
|
Nootropic Agents; Anticonvulsants; Nervous System; Antiepileptics; | Used as adjunctive therapy in the treatment of partial onset seizures in adults and children 4 years of age and older with epilepsy. |
| FDBD01062 | Finasteride |
|
Adrenergic alpha-Antagonists; 5-alpha Reductase Inhibitors; Skin and Mucous Membrane Agents; Genito Urinary System and Sex Hormones; Dermatologicals; Drugs Used in Benign Prostatic Hypertrophy; Testosterone-5-Alpha Reductase Inhibitors; Urological Agents; CYP3A4 Inhibitors; | For the treatment of symptomatic benign prostatic hyperplasia (BPH) in men with an enlarged prostate to: Improve symptoms, reduce the risk of acute urinary retention, reduce the risk of the need for surgery including transurethral resection of the prostate. Also used for the stimulation of regrowth of hair in men with mild to moderate androgenetic alopecia (male pattern alopecia, hereditary alopecia, common male baldness). |
| FDBD01073 | Encainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Encainide is a class Ic antiarrhythmic agent which was used for management of irregular heartbeats, such as atrial fibrillation, atrial flutter, ventricular tachycardia, and ventricular fibrillation. |
| FDBD01074 | Paclitaxel |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Phytogenic; Tubulin Modulators; Antineoplastic and Immunomodulating Agents; Taxanes; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in the treatment of Kaposi's sarcoma and cancer of the lung, ovarian, and breast. Abraxane® is specfically indicated for the treatment of metastatic breast cancer and locally advanced or metastatic non-small cell lung cancer. |
| FDBD01076 | Saquinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of HIV-1 with advanced immunodeficiency together with antiretroviral nucleoside analogues. |
| FDBD01077 | Metoclopramide |
|
Antiemetics; Dopamine Antagonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; Dopamine D2 Receptor Antagonists; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of gastroesophageal reflux disease (GERD). It is also used in treating nausea and vomiting, and to increase gastric emptying. |
| FDBD01091 | Isocarboxazid |
|
Antidepressive Agents; Monoamine Oxidase Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; Monoamine Oxidase Inhibitors, Non-Selective; | May be used to treat major depressive disorder. |
| FDBD01093 | Iodixanol |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Nephrotropic, Low Osmolar X-Ray Contrast Media; | Iodixanol is a contrast agent during coronary angiography. |
361 ,
37
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vl1_ligand_frag_1.mol2 | 2vl1 | 1 | -5.59 | C(=O)N | 3 |
| 1wdn_ligand_frag_3.mol2 | 1wdn | 1 | -5.56 | C(=O)N | 3 |
| 1db5_ligand_frag_4.mol2 | 1db5 | 1 | -5.51 | C(=O)N | 3 |
| 2ntf_ligand_frag_10.mol2 | 2ntf | 1 | -5.51 | C(=O)N | 3 |
| 4pml_ligand_frag_1.mol2 | 4pml | 1 | -5.51 | C(=O)N | 3 |
| 4xmb_ligand_frag_8.mol2 | 4xmb | 1 | -5.51 | C(=O)N | 3 |
| 4tjy_ligand_frag_1.mol2 | 4tjy | 1 | -5.50 | C(=O)N | 3 |
| 4f1q_ligand_frag_4.mol2 | 4f1q | 1 | -5.49 | C(=O)N | 3 |
4319 ,
432
